3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine

C19H19Cl2NO2 — CID 67941136

IUPAC3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine
SMILESCCc1cc(CCc2cc3c(Cl)ccc(Cl)c3o2)c(OC)nc1C
InChIInChI=1S/C19H19Cl2NO2/c1-4-12-9-13(19(23-3)22-11(12)2)5-6-14-10-15-16(20)7-8-17(21)18(15)24-14/h7-10H,4-6H2,1-3H3
InChIKeyFMRTWEDZOAHAGQ-UHFFFAOYSA-N
MW364.27 g/mol
LogP5.80
Rot. Bonds5

About 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine

3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine (PubChem CID 67941136) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine.

Molecular Properties

Compound Name3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine
PubChem CID67941136
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine
SMILESCCc1cc(CCc2cc3c(Cl)ccc(Cl)c3o2)c(OC)nc1C
InChIInChI=1S/C19H19Cl2NO2/c1-4-12-9-13(19(23-3)22-11(12)2)5-6-14-10-15-16(20)7-8-17(21)18(15)24-14/h7-10H,4-6H2,1-3H3
InChIKeyFMRTWEDZOAHAGQ-UHFFFAOYSA-N
XLogP5.80
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine?
The IUPAC name of 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine (CID 67941136) is 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine.
What is the SMILES notation for 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine?
The canonical SMILES for 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine is CCc1cc(CCc2cc3c(Cl)ccc(Cl)c3o2)c(OC)nc1C.
What is the InChIKey of 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine?
The InChIKey is FMRTWEDZOAHAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c1-4-12-9-13(19(23-3)22-11(12)2)5-6-14-10-15-16(20)7-8-17(21)18(15)24-14/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine?
3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine has a molecular weight of 364.27 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,7-dichloro-1-benzofuran-2-yl)ethyl]-5-ethyl-2-methoxy-6-methylpyridine is sourced from PubChem (CID 67941136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).